search_by_inchi
Use this tool to locate chemical compounds in the PubChem database by entering their InChI string or InChI key for precise molecular identification and access to related data.
Instructions
Search for compounds by InChI or InChI key
Input Schema
TableJSON Schema
| Name | Required | Description | Default |
|---|---|---|---|
| inchi | Yes | InChI string or InChI key |
Implementation Reference
- src/index.ts:950-952 (handler)Handler function that executes the search_by_inchi tool logic. Currently a placeholder that returns an unimplemented message.private async handleSearchByInchi(args: any) { return { content: [{ type: 'text', text: JSON.stringify({ message: 'InChI search not yet implemented', args }, null, 2) }] }; }
- src/index.ts:406-416 (schema)Input schema definition for the search_by_inchi tool, specifying the expected 'inchi' parameter.{ name: 'search_by_inchi', description: 'Search for compounds by InChI or InChI key', inputSchema: { type: 'object', properties: { inchi: { type: 'string', description: 'InChI string or InChI key' }, }, required: ['inchi'], }, },
- src/index.ts:746-747 (registration)Registration and dispatch case in the CallToolRequestSchema handler that routes to the search_by_inchi handler.case 'search_by_inchi': return await this.handleSearchByInchi(args);
- src/index.ts:406-416 (registration)Tool registration in the ListToolsRequestSchema response, declaring the tool's name, description, and schema.{ name: 'search_by_inchi', description: 'Search for compounds by InChI or InChI key', inputSchema: { type: 'object', properties: { inchi: { type: 'string', description: 'InChI string or InChI key' }, }, required: ['inchi'], }, },